strho=F,film=T,dos=T,isec1=99,ndir=-1,secvar=F Fe UML FM q=(0,0){exp lattice constant, 1 atom unit cell} hex p1 ,invs=F,zrfs=F,invs2=F,jspins=2,l_noco=F,l_J=F 4.86600000 5.60000000 8.60000000 1.00000000 vwn non-relativi igrd=1,lwb=F,ndvgrd=6,idsprs=0,chng=-0.100D-11 1 ********************************** Fe 26 7 8 557 2.260000 0.021000 1,force =F,nlo= 0,llo= 0.000000 0.000000 0.000000 2.000000 ********************************** 10.300000 8.600000 vchk=F,cdinf=F,pot8=F,gw=0,gw_neigd= 0 lpr=0,form66=F,l_f=F,eonly=F,eig66=F,soc66=F 6 1 0 Window # 1 -0.80000 0.50000 8.00000 3.80000 =kmax gauss=F 0.00100tria=F 0.000000 0.000000,l_soc=F,spav=F,off=F frcor=F,slice=F,ctail=F,disp=F,kcrel=0,u2f=F,f2u=F,bmt=F itmax=20,maxiter= 99,imix= 7,alpha= 0.05,spinf= 2.00 swsp=F 2.20 lflip=F 1 vacdos=F,layers= 0,integ=F,star=F,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000 iplot=F,score=F,plpot=F,band=F 0 0.000000 0.000000,nnne= 0,pallst=F xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 relax 001 emin_dos= -0.50000,emax_dos= 0.50000,sig_dos= 0.00100 nkpt= 800